SCHEMBL7780461

SCHEMBL7780461

CCCCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)c(-c2ccc(C(=O)OC(C)CCCCCC)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.63
RARB P10826 5/20 0.57
TSHR P16473 2/20 0.54
TP53 P04637 1/20 0.54
PLA2G4B P0C869 6/20 0.53
PLA2G4A P47712 1/20 0.49
ALDH1A1 P00352 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7775358 1.00 PTPN11 (0.63) PTPN11RARBTSHRTP53PLA2G4B
SCHEMBL7778267 1.00 PTPN11 (0.63) PTPN11RARBTSHRTP53PLA2G4B
SCHEMBL7773620 1.00 PTPN11 (0.63) PTPN11RARBTSHRTP53PLA2G4B
SCHEMBL7780458 0.95 PTPN11 (0.58) PTPN11RARBTSHRTP53PLA2G4B
SCHEMBL7773618 0.95 PTPN11 (0.58) PTPN11RARBTSHRTP53PLA2G4B
SCHEMBL9541986 0.91 PTPN11 (0.57) PTPN11RARBTSHRTP53PLA2G4B
SCHEMBL6872614 0.90 ALDH1A1 (0.54) PTPN11RARBTSHRTP53PLA2G4B
SCHEMBL6872019 0.90 ALDH1A1 (0.54) PTPN11RARBTSHRTP53PLA2G4B
SCHEMBL9193087 0.90 PTPN11 (0.60) PTPN11RARBTSHRTP53PLA2G4B
SCHEMBL9754651 0.90 PTPN11 (0.60) PTPN11RARBTSHRTP53PLA2G4B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745592-B1 Optically active pyrimidine derivatives and antiferroelectric liquid crystal compositions containing the same SEMICONDUCTOR ENERGY LAB (JP) 2001-09-19 EP disclosed
US-5667722-A Antiferroelectric liquid crystal compound and antiferroelectric liquid crystal composition containing the same TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-09-16 US disclosed
EP-0745592-A1 Antiferroelectric liquid crystal compound and antiferroelectric liquid crystal composition containing the same Takasago International Corporation (JP) 1996-12-04 EP disclosed